2-chloro-5-(chlorosulfonyl)-4-fluorobenzoic acid

2-chloro-5-(chlorosulfonyl)-4-fluorobenzoic acid

CAS: 264927-50-6

Formula: C7H3Cl2FO4S

SMILES: OC(=O)C1=C(Cl)C=C(F)C(=C1)S(Cl)(=O)=O

IUPAC: 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoic acid

InChI: InChI=1S/C7H3Cl2FO4S/c8-4-2-5(10)6(15(9,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

Composition: C (30.79%), H (1.11%), Cl (25.97%), F (6.96%), O (23.44%), S (11.74%)

Molar Mass: 273.06

Atom Count: 18

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.9113133
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QOPIIRYHSQOQRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.53
Topological Polar Surface Area	71.44
Polarizability	20.76
Ring Count	1
Rotatable Bond Count	2

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